Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)
TL;DR: Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) (CAS 121033-12-3) is a chemical compound with molecular formula C37H40N4O13 and molecular weight 748.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-[2-[3-[2-[[2-(benzylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide;oxalic acid
Also Known As: Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1), 2-(benzylamino)-N-[2-[3-[2-[[2-(benzylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide; oxalic acid, Oxalic acid--N,N'-[(2-hydroxypropane-1,3-diyl)bis(oxy-2,1-phenylene)]bis[2-(benzylamino)acetamide] (2/1), RefChem:314753
| Molecular Formula | C37H40N4O13 |
|---|---|
| Molecular Weight | 748.26 g/mol |
| LogP | 2.2731 |
| Topological Polar Surface Area | 270.15 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 748.2592 |
| Heavy Atoms | 54 |
| Complexity | 1653.1586 |
Chemical Identifiers
| CAS Number | 121033-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC(=O)NC2=CC=CC=C2OCC(COC3=CC=CC=C3NC(=O)CNCC4=CC=CC=C4)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) (CAS 121033-12-3), with molecular formula C37H40N4O13 and molecular weight 748.26 g/mol. IUPAC: 2-(benzylamino)-N-[2-[3-[2-[[2-(benzylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide;oxalic acid.
Chemical Property Profile of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)
Property Insights of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)
The XLogP value of 2.2731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1). The TPSA of 270.15 Ų indicates high polarity, suggesting Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)?
The CAS number of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) is 121033-12-3.
What is the molecular formula of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)?
The molecular formula of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) is C37H40N4O13.
What is the molecular weight of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)?
The molecular weight of Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) is 748.26 g/mol.
Where can I buy Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)?
You can request a quote for Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N,N'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-, ethanedioate, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.